ChemSpider 2D Image | N-[3-({(2S)-3-(3-Carbamimidoylphenyl)-1-[4-(4-hydroxyphenyl)-1-piperazinyl]-1-oxo-2-propanyl}sulfamoyl)phenyl]-beta-alaninamide | C29H35N7O5S

N-[3-({(2S)-3-(3-Carbamimidoylphenyl)-1-[4-(4-hydroxyphenyl)-1-piperazinyl]-1-oxo-2-propanyl}sulfamoyl)phenyl]-β-alaninamide

  • Molecular FormulaC29H35N7O5S
  • Average mass593.697 Da
  • Monoisotopic mass593.242065 Da
  • ChemSpider ID24713699

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-[3-({(2S)-3-(3-Carbamimidoylphenyl)-1-[4-(4-hydroxyphenyl)-1-piperazinyl]-1-oxo-2-propanyl}sulfamoyl)phenyl]-β-alaninamide [ACD/IUPAC Name]
N-[3-({3-(3-Carbamimidoylphenyl)-1-[4-(4-hydroxyphenyl)-1-piperazinyl]-1-oxo-2-propanyl}sulfamoyl)phenyl]-β-alaninamid [German] [ACD/IUPAC Name]
N-[3-({3-(3-Carbamimidoylphényl)-1-[4-(4-hydroxyphényl)-1-pipérazinyl]-1-oxo-2-propanyl}sulfamoyl)phényl]-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-amino-N-[3-[[[(1S)-1-[[3-(aminoiminomethyl)phenyl]methyl]-2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl]amino]sulfonyl]phenyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL506479/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 158.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -3.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 417.9±7.0 cm3

Click to predict properties on the Chemicalize site


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